2,4,9,11,13,15,20,22-octamethyl-7,17-di(propan-2-yl)tricosan-12-one

C37H74O — CID 174871852

IUPAC2,4,9,11,13,15,20,22-octamethyl-7,17-di(propan-2-yl)tricosan-12-one
SMILESCC(C)CC(C)CCC(CC(C)CC(C)C(=O)C(C)CC(C)CC(CCC(C)CC(C)C)C(C)C)C(C)C
InChIInChI=1S/C37H74O/c1-25(2)19-29(9)15-17-35(27(5)6)23-31(11)21-33(13)37(38)34(14)22-32(12)24-36(28(7)8)18-16-30(10)20-26(3)4/h25-36H,15-24H2,1-14H3
InChIKeyIAXWQLGQMQOONT-UHFFFAOYSA-N
MW535.00 g/mol
LogP12.13
Rot. Bonds22

About 2,4,9,11,13,15,20,22-octamethyl-7,17-di(propan-2-yl)tricosan-12-one

2,4,9,11,13,15,20,22-octamethyl-7,17-di(propan-2-yl)tricosan-12-one (PubChem CID 174871852) has the molecular formula C37H74O and a molecular weight of 535.00 g/mol. Its IUPAC name is 2,4,9,11,13,15,20,22-octamethyl-7,17-di(propan-2-yl)tricosan-12-one.

Molecular Properties

Compound Name2,4,9,11,13,15,20,22-octamethyl-7,17-di(propan-2-yl)tricosan-12-one
PubChem CID174871852
Molecular FormulaC37H74O
Molecular Weight535.00 g/mol
Exact Mass534.57
IUPAC Name2,4,9,11,13,15,20,22-octamethyl-7,17-di(propan-2-yl)tricosan-12-one
SMILESCC(C)CC(C)CCC(CC(C)CC(C)C(=O)C(C)CC(C)CC(CCC(C)CC(C)C)C(C)C)C(C)C
InChIInChI=1S/C37H74O/c1-25(2)19-29(9)15-17-35(27(5)6)23-31(11)21-33(13)37(38)34(14)22-32(12)24-36(28(7)8)18-16-30(10)20-26(3)4/h25-36H,15-24H2,1-14H3
InChIKeyIAXWQLGQMQOONT-UHFFFAOYSA-N
XLogP12.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.00
LogP ≤ 512.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,4,9,11,13,15,20,22-octamethyl-7,17-di(propan-2-yl)tricosan-12-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4,9,11,13,15,20,22-octamethyl-7,17-di(propan-2-yl)tricosan-12-one?
The IUPAC name of 2,4,9,11,13,15,20,22-octamethyl-7,17-di(propan-2-yl)tricosan-12-one (CID 174871852) is 2,4,9,11,13,15,20,22-octamethyl-7,17-di(propan-2-yl)tricosan-12-one.
What is the SMILES notation for 2,4,9,11,13,15,20,22-octamethyl-7,17-di(propan-2-yl)tricosan-12-one?
The canonical SMILES for 2,4,9,11,13,15,20,22-octamethyl-7,17-di(propan-2-yl)tricosan-12-one is CC(C)CC(C)CCC(CC(C)CC(C)C(=O)C(C)CC(C)CC(CCC(C)CC(C)C)C(C)C)C(C)C.
What is the InChIKey of 2,4,9,11,13,15,20,22-octamethyl-7,17-di(propan-2-yl)tricosan-12-one?
The InChIKey is IAXWQLGQMQOONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H74O/c1-25(2)19-29(9)15-17-35(27(5)6)23-31(11)21-33(13)37(38)34(14)22-32(12)24-36(28(7)8)18-16-30(10)20-26(3)4/h25-36H,15-24H2,1-14H3.
What are the key properties of 2,4,9,11,13,15,20,22-octamethyl-7,17-di(propan-2-yl)tricosan-12-one?
2,4,9,11,13,15,20,22-octamethyl-7,17-di(propan-2-yl)tricosan-12-one has a molecular weight of 535.00 g/mol, XLogP of 12.13, 22 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,9,11,13,15,20,22-octamethyl-7,17-di(propan-2-yl)tricosan-12-one is sourced from PubChem (CID 174871852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).